2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride

C10H20Cl2N4 — CID 130841205

IUPAC2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C10H18N4.2ClH/c11-3-8-14-6-1-9(2-7-14)10-12-4-5-13-10;;/h4-5,9H,1-3,6-8,11H2,(H,12,13);2*1H
InChIKeyMOVOATDNQZQVFU-UHFFFAOYSA-N
MW267.20 g/mol
LogP1.39
Rot. Bonds3

About 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride

2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride (PubChem CID 130841205) has the molecular formula C10H20Cl2N4 and a molecular weight of 267.20 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride
PubChem CID130841205
Molecular FormulaC10H20Cl2N4
Molecular Weight267.20 g/mol
Exact Mass266.11
IUPAC Name2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C10H18N4.2ClH/c11-3-8-14-6-1-9(2-7-14)10-12-4-5-13-10;;/h4-5,9H,1-3,6-8,11H2,(H,12,13);2*1H
InChIKeyMOVOATDNQZQVFU-UHFFFAOYSA-N
XLogP1.39
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4-(1H-imidazol-2-yl)piperidine
CID 58602941
4-(1H-imidazol-2-yl)cyclohexan-1-amine
CID 45120658
2-(4-methylcyclohexyl)-1H-imidazole
CID 67915661
3-chloro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110480830
(2S)-2-amino-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-methylpentan-1-one
CID 110482490
1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine
CID 110725892
5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 110482691
2-amino-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481474
(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 70731117
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 70707253
(E)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]but-2-en-1-one
CID 110470223
4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 70773690

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride (CID 130841205) is 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride is Cl.Cl.NCCN1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride?
The InChIKey is MOVOATDNQZQVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4.2ClH/c11-3-8-14-6-1-9(2-7-14)10-12-4-5-13-10;;/h4-5,9H,1-3,6-8,11H2,(H,12,13);2*1H.
What are the key properties of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride?
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride has a molecular weight of 267.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 130841205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).